D0CS2L Wcorina 11010620303D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 32 34 0 0 0 999 V2000 2.2104 1.8107 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 1.6170 -2.3967 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 1.6195 -1.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 1.4134 0.0291 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 1.7538 1.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7683 -2.5380 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 -3.0829 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 -2.2595 0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 -1.1656 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -0.3348 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -0.8729 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 -0.0885 0.6785 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 1.3254 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6324 2.0617 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 1.4764 2.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 0.4024 2.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 0.5388 4.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 1.7501 4.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 2.8244 4.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 2.6871 3.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 1.9375 6.5245 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 -3.1833 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 -4.1550 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 -2.6901 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 -0.7399 -0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -0.5023 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 1.7436 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 3.1319 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0805 -0.5432 2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -0.3001 4.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 3.7705 4.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 3.5258 2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 14 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 5 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 11 2 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END $$$$